2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V003-9562 |
| Compound Name: | 2-[1-tert-butyl-4-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 585.73 |
| Molecular Formula: | C32 H35 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(NCc2ccccn2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8143 |
| logD: | 4.8133 |
| logSw: | -4.6447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.18 |
| InChI Key: | GYEOGPAZNZFTBZ-SSEXGKCCSA-N |